{"id":"https://openalex.org/W586995672","doi":null,"title":"Large-scale Molecular Dynamics Simulation with Forward Flux Sampling on Hadoop","display_name":"Large-scale Molecular Dynamics Simulation with Forward Flux Sampling on Hadoop","publication_year":2013,"publication_date":"2013-01-01","ids":{"openalex":"https://openalex.org/W586995672","mag":"586995672"},"language":"en","primary_location":{"id":"pmh:oai:open.clemson.edu:grads_symposium-1058","doi":null,"is_oa":false,"landing_page_url":"https://open.clemson.edu/grads_symposium/59","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Graduate Research and Discovery Symposium (GRADS)","raw_type":"text"},"volume":null,"type":"conference-paper","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5108111002","display_name":"Pengfei Xuan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I8078737","display_name":"Clemson University","ror":"https://ror.org/037s24f05","country_code":"US","type":"education","lineage":["https://openalex.org/I8078737"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Pengfei Xuan","raw_affiliation_strings":["Clemson University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Clemson University","institution_ids":["https://openalex.org/I8078737"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072317636","display_name":"Yueli Zheng","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yueli Zheng","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086764605","display_name":"Sapna Sarupria","orcid":"https://orcid.org/0000-0001-7692-8313","observed_orcids":["https://orcid.org/0000-0001-7692-8313"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sapna Sarupria","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-7692-8313","affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5004225206","display_name":"Amy Apon","orcid":"https://orcid.org/0000-0001-5617-5334","observed_orcids":["https://orcid.org/0000-0001-5617-5334"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Amy Apon","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-5617-5334","affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10101","display_name":"Cloud Computing and Resource Management","score":0.31029999256134033,"subfield":{"id":"https://openalex.org/subfields/1710","display_name":"Information Systems"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10101","display_name":"Cloud Computing and Resource Management","score":0.31029999256134033,"subfield":{"id":"https://openalex.org/subfields/1710","display_name":"Information Systems"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.23659999668598175,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.2345999926328659,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/forward-flux-sampling","display_name":"forward flux sampling","score":0.921999990940094},{"id":"https://openalex.org/keywords/rare-event-simulation","display_name":"rare event simulation","score":0.7710000276565552},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.7919999957084656},{"id":"https://openalex.org/keywords/hadoop","display_name":"Hadoop","score":0.9739999771118164},{"id":"https://openalex.org/keywords/mapreduce","display_name":"MapReduce","score":0.996999979019165},{"id":"https://openalex.org/keywords/gromacs","display_name":"GROMACS","score":0.7519999742507935},{"id":"https://openalex.org/keywords/fault-tolerance","display_name":"fault tolerance","score":0.7179999947547913},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"distributed computing","score":0.41200000047683716}],"concepts":[{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.6424563527107239},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.5881561040878296},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.558671236038208},{"id":"https://openalex.org/C68709404","wikidata":"https://www.wikidata.org/wiki/Q1134475","display_name":"Flux (metallurgy)","level":2,"score":0.4779401123523712},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.42182207107543945},{"id":"https://openalex.org/C39432304","wikidata":"https://www.wikidata.org/wiki/Q188847","display_name":"Environmental science","level":0,"score":0.3888893127441406},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13512292504310608},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.13161185383796692},{"id":"https://openalex.org/C58640448","wikidata":"https://www.wikidata.org/wiki/Q42515","display_name":"Cartography","level":1,"score":0.12117284536361694},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.11796656250953674},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.09229409694671631},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C94915269","wikidata":"https://www.wikidata.org/wiki/Q1834857","display_name":"Detector","level":2,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"pmh:oai:open.clemson.edu:grads_symposium-1058","doi":null,"is_oa":false,"landing_page_url":"https://open.clemson.edu/grads_symposium/59","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Graduate Research and Discovery Symposium (GRADS)","raw_type":"text"},{"id":"pmh:oai:tigerprints.clemson.edu:grads_symposium-1058","doi":null,"is_oa":false,"landing_page_url":"https://tigerprints.clemson.edu/grads_symposium/59","pdf_url":null,"source":{"id":"https://openalex.org/S4377196397","display_name":"TigerPrints (Clemson University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I8078737","host_organization_name":"Clemson University","host_organization_lineage":["https://openalex.org/I8078737"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Graduate Research and Discovery Symposium (GRADS)","raw_type":"text"},{"id":"mag:586995672","doi":null,"is_oa":false,"landing_page_url":"https://tigerprints.clemson.edu/cgi/viewcontent.cgi?article=1058&context=grads_symposium","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":1,"referenced_works":["https://openalex.org/W2110497788"],"related_works":["https://openalex.org/W2965327066","https://openalex.org/W2340704490","https://openalex.org/W2083695981","https://openalex.org/W6960132807","https://openalex.org/W2380417663","https://openalex.org/W2169390877","https://openalex.org/W2911964513","https://openalex.org/W1988133793","https://openalex.org/W2011126249","https://openalex.org/W6941300136"],"abstract_inverted_index":{"Simulating":[0],"rare":[1,92],"events":[2,93],"is":[3,17,83],"extremely":[4],"difficulty":[5],"and":[6,11,73,90],"requires":[7],"massive":[8],"computational":[9,27],"resources":[10],"complex":[12],"data":[13],"processing":[14],"workflow,":[15],"which":[16],"determined":[18],"by":[19,68],"the":[20,59,103,106],"nature":[21],"of":[22,98,105],"stochastic":[23],"systems.":[24],"To":[25],"help":[26],"scientists":[28],"discover":[29],"hard":[30],"scientific":[31,108],"problems":[32],"in":[33],"this":[34,55],"area,":[35],"we":[36,57],"built":[37],"a":[38,87],"large-scale":[39],"molecular":[40],"dynamics":[41],"simulation":[42,94],"framework":[43,82],"integrated":[44],"with":[45],"forward":[46],"flux":[47],"sampling":[48],"(FFS)":[49],"technique":[50],"on":[51],"Hadoop":[52],"ecosystem.":[53],"In":[54],"project,":[56],"port":[58],"customized":[60],"FFS":[61],"workflow":[62],"to":[63,85],"underlying":[64],"MapReduce-based":[65],"computing":[66,99],"pipeline":[67],"using":[69],"dataflow-driven":[70],"design":[71],"pattern":[72],"Gromacs":[74],"application.":[75,109],"The":[76],"early":[77],"works":[78],"show":[79],"that":[80],"our":[81],"able":[84],"provide":[86],"scalable,":[88],"fault-tolerance":[89],"efficient":[91],"environment":[95],"over":[96],"varieties":[97],"infrastructures,":[100],"while":[101],"preserving":[102],"flexibility":[104],"original":[107]},"counts_by_year":[],"updated_date":"2026-08-18T07:49:30.821534","created_date":"2016-06-24T00:00:00"}